9-[(2S)-butan-2-yl]-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Systemtic Name: 9-[(2S)-butan-2-yl]-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 4-methyl-9-[(1S)-1-methylpropyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 9-[(2S)-butan-2-yl]-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 9-[(2S)-butan-2-yl]-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 4-methyl-9-[(1S)-1-methylpropyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C16H20NO3+ MolecularWeight: 274.3349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CC2=C(C=CC3=C2OC(=O)C=C3C)OC1

Isomeric SMILES

CC[C@H](C)[NH+]1CC2=C(C=CC3=C2OC(=O)C=C3C)OC1

InChI

InChI=1S/C16H19NO3/c1-4-11(3)17-8-13-14(19-9-17)6-5-12-10(2)7-15(18)20-16(12)13/h5-7,11H,4,8-9H2,1-3H3/p+1/t11-/m0/s1